3-(aziridin-2-yl)pyrrolidine-2,5-dione

C6H8N2O2 — CID 167096891

IUPAC3-(aziridin-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CN2)C(=O)N1
InChIInChI=1S/C6H8N2O2/c9-5-1-3(4-2-7-4)6(10)8-5/h3-4,7H,1-2H2,(H,8,9,10)
InChIKeyBBXPFPFJHSWYOH-UHFFFAOYSA-N
MW140.14 g/mol
LogP-1.38
Rot. Bonds1

About 3-(aziridin-2-yl)pyrrolidine-2,5-dione

3-(aziridin-2-yl)pyrrolidine-2,5-dione (PubChem CID 167096891) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(aziridin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(aziridin-2-yl)pyrrolidine-2,5-dione
PubChem CID167096891
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(aziridin-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CN2)C(=O)N1
InChIInChI=1S/C6H8N2O2/c9-5-1-3(4-2-7-4)6(10)8-5/h3-4,7H,1-2H2,(H,8,9,10)
InChIKeyBBXPFPFJHSWYOH-UHFFFAOYSA-N
XLogP-1.38
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione
CID 67860178
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
3-piperidin-4-ylpyrrolidine-2,5-dione
CID 173255844
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
3-(2,3-dimethylcyclobutyl)pyrrolidine-2,5-dione
CID 130729555
3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
CID 141162707
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
CID 66653042
CID 66653042
3-(2,4,4-trimethylcyclohexyl)pyrrolidine-2,5-dione
CID 81314602
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(aziridin-2-yl)pyrrolidine-2,5-dione (CID 167096891) is 3-(aziridin-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(aziridin-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(aziridin-2-yl)pyrrolidine-2,5-dione is O=C1CC(C2CN2)C(=O)N1.
What is the InChIKey of 3-(aziridin-2-yl)pyrrolidine-2,5-dione?
The InChIKey is BBXPFPFJHSWYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-5-1-3(4-2-7-4)6(10)8-5/h3-4,7H,1-2H2,(H,8,9,10).
What are the key properties of 3-(aziridin-2-yl)pyrrolidine-2,5-dione?
3-(aziridin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 167096891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).